Chemical identity

Piperacillin penicillamide

CAS 307531-95-9 · C15H15NO2S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-14795
PubChem CID10588328
NamePiperacillin penicillamide
CAS RN307531-95-9
Molecular formulaC15H15NO2S
Molecular weight273.35 g/mol
IUPAC name1-(6-methylpyridin-3-yl)-2-(4-(methylsulfinyl)phenyl)ethan-1-one
InChIKeyNSLOBCYFRMBVDZ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 10588328
Two-dimensional chemical structure of Piperacillin penicillamide, CAS 307531-95-9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=NC=C(C=C1)C(=O)CC2=CC=C(C=C2)S(=O)C
InChINot listed
Formula from structureC15H15NO2S
Molecular weight from structure273.35 g/mol

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 307531-95-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 307531-95-9 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Etoricoxib

View API and impurity family

Other names

  • Etoricoxib Impurity 17
  • Piperacillin penicillamide
  • Ethanone, 1-(6-methyl-3-pyridinyl)-2-[4-(methylsulfinyl)phenyl]
  • 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfinyl)phenyl)ethanone (Etoricoxib Impurity)
  • 307531-95-9
  • Etoricoxib Impurity M
  • 1-(6-METHYLPYRIDIN-3-YL)-2-(4-(METHYLSULFINYL)PHENYL)ETHANONE
  • Etoricoxib Impurity 14
  • 1-(6-Methyl-3-pyridinyl)-2-[4-(methylsulfinyl)phenyl]ethanone
  • Etoricoxib Impurity O
  • orb3181321
  • SCHEMBL12095315

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources